| General Property |
| Molceule ID (DB) | EGIN0000792 |
| Inhibitor Class | Anilino-pyrimidine |
| Molecule Name in Refrence Article | 8q compound |
| IUPAC Name | N-(6-{2-[4-({3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}amino)pyrimidin-5-yl]ethynyl}pyridin-2-yl)acetamide |
| Formula | C26H19ClFN5O2 |
| Mass | 487.913 |
| Exact Mass | 487.1211308 |
| Composition | C (64%), H (3.93%), Cl (7.27%), F (3.89%), N (14.35%), O (6.56%) |
| Atom Count | 54 |
| PI | 7.4 |
| Smiles | c1c(cc(c(c1)OCc1cc(ccc1)F)Cl)Nc1c(cncn1)C#Cc1cccc(n1)NC(=O)C |
| InChI | 1S/C26H19ClFN5O2/c1-17(34)31-25-7-3-6-21(32-25)9-8-19-14-29-16-30-26(19)33-22-10-11-24(23(27)13-22)3
5-15-18-4-2-5-20(28)12-18/h2-7,10-14,16H,15H2,1H3,(H,29,30,33)(H,31,32,34) |
| InChIKey | CNRXAYAWNNSNLT-UHFFFAOYSA-N |
| 2D Structure |  | Structure Backbone |  |
|
| View Structure in Jmol | Click to view 3 d structure Download Mol File |
| Drug Like Property | Druglikeliness |
| Symmetry & Geometry | Symmetry And Geometrical Information |
| Activity & Binding | Activity against isoform and covalant binding information |
| Topological Properties | Descriptors |
| Reference | 16483772 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | No activity data against other kinases present in database |
| Pub Chem Link |
11627264
|
| Drug Bank Link | - |
| ChemSpider Link | 9802011 |
| ChEMBL Link | CHEMBL205765 |
